Geometry & MOs

Info

ID:	1217
PubChem CID:	4005
Reduced:	S2N5O5C23H39 (1)
Stoich.:	A2B5C5D23E39 (1)
Weight, g/mol:	529.239262
ΔH_f, kcal/mol:	-252.54
Dipole, Da:	10.37
IP(EA), eV:	-9.32(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-butan-2-yl-7-(2-methylpropyl)-10-propan-2-yl-15,16-dithia-2,5,8,11,19-pentazabicyclo[11.4.2]nonadecane-3,6,9,12,18-pentone

Drug info:

PubChemData

Smile

CCC(C)C1C(=O)NC2CSSCC(C(=O)NC(C(=O)NC(C(=O)N1)CC(C)C)C(C)C)NC2=O

DOS

IR

Vibrations